#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtc s PRO 2 N 0.00 2.96 -0.01 3.69 0.04 -1.26 -4.55 135.00 135.88 2jtc s PRO 2 Ca 0.00 0.56 -0.10 0.00 0.04 0.00 0.00 61.00 61.49 2jtc s PRO 2 Cb 0.00 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2jtc s PRO 2 CO 0.00 -0.98 0.32 0.08 0.04 0.00 0.00 177.00 176.46 2jtc s VAL 3 N -3.29 5.20 -0.04 -0.36 1.01 -1.26 -3.80 120.40 117.86 2jtc s VAL 3 Ca 0.58 0.49 0.01 0.00 0.00 0.00 0.00 61.98 63.06 2jtc s VAL 3 Cb -0.11 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2jtc s VAL 3 CO 0.53 0.48 -0.03 -0.69 0.00 0.00 0.00 175.10 175.39 2jtc s VAL 4 N -1.18 0.42 0.89 2.92 1.01 0.29 -4.84 120.40 119.92 2jtc s VAL 4 Ca 0.25 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.00 2jtc s VAL 4 Cb -0.14 -0.46 0.21 0.00 0.00 0.00 0.00 36.38 35.99 2jtc s VAL 4 CO 0.13 0.19 1.02 0.29 0.00 0.00 0.00 175.10 176.74 2jtc n LYS 5 N 3.98 -1.76 -2.46 2.72 4.76 -1.26 0.77 118.16 124.90 2jtc n LYS 5 Ca -0.25 -1.60 -0.42 0.00 -2.87 0.00 0.00 58.31 53.17 2jtc n LYS 5 Cb 0.51 -1.22 -0.02 0.00 -1.84 0.00 0.00 35.03 32.45 2jtc n LYS 5 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jtc s SER 6 N -4.59 6.26 0.12 4.39 0.15 -1.21 -3.56 113.70 115.26 2jtc s SER 6 Ca 0.61 0.24 -0.20 0.00 0.70 0.00 0.00 55.95 57.30 2jtc s SER 6 Cb -0.03 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 2jtc s SER 6 CO 0.44 -1.61 1.73 -0.07 1.20 0.00 0.00 173.24 174.93 2jtc h LEU 7 N 12.60 -0.05 -0.88 3.45 3.38 0.30 0.46 115.31 134.57 2jtc h LEU 7 Ca -0.26 0.04 0.09 0.00 0.09 0.00 0.00 57.88 57.84 2jtc h LEU 7 Cb 1.08 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 2jtc h LEU 7 CO 1.18 0.00 0.53 -0.07 0.09 0.00 0.00 178.44 180.17 2jtc h LEU 8 N 0.07 0.79 -0.61 1.67 3.38 -1.90 -0.30 115.31 118.42 2jtc h LEU 8 Ca 0.09 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 2jtc h LEU 8 Cb 0.10 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2jtc h LEU 8 CO -0.14 0.46 -0.15 -0.78 0.09 0.00 0.00 178.44 177.93 2jtc h ASP 9 N 0.90 0.95 0.00 -0.43 3.58 -1.50 0.24 116.42 120.16 2jtc h ASP 9 Ca 0.42 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2jtc h ASP 9 Cb 0.33 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2jtc h ASP 9 CO -0.23 1.09 0.05 -1.54 -2.88 0.00 0.00 179.24 175.74 2jtc n SER 10 N -4.13 0.48 -0.19 2.28 3.41 0.15 -0.13 113.62 115.48 2jtc n SER 10 Ca 0.01 0.70 0.09 0.00 -0.26 0.00 0.00 58.87 59.41 2jtc n SER 10 Cb 0.42 -0.75 0.14 0.00 -0.26 0.00 0.00 64.21 63.76 2jtc n SER 10 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jtc n LYS 11 N -2.15 1.27 -4.07 4.33 5.02 -0.74 -4.95 118.16 116.86 2jtc n LYS 11 Ca -0.01 -2.63 -0.34 0.00 -2.02 0.00 0.00 58.31 53.31 2jtc n LYS 11 Cb 0.08 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 2jtc n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jtc n GLY 12 N -1.31 -0.44 3.55 0.72 0.00 0.81 -4.67 105.19 103.85 2jtc n GLY 12 Ca 0.16 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2jtc n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtc s ILE 13 N -3.10 4.54 -0.41 -0.61 1.01 0.75 -2.38 121.20 121.01 2jtc s ILE 13 Ca 0.67 0.57 0.02 0.00 0.00 0.00 0.00 60.65 61.90 2jtc s ILE 13 Cb -0.38 -4.40 0.14 0.00 0.01 0.00 0.00 42.46 37.84 2jtc s ILE 13 CO 0.82 -0.81 0.25 -1.00 0.00 0.00 0.00 174.94 174.20 2jtc s HIS 14 N 3.58 1.45 0.68 3.97 3.76 0.76 -4.62 115.29 124.86 2jtc s HIS 14 Ca 0.33 -2.13 0.03 0.00 -0.15 0.00 0.00 55.06 53.14 2jtc s HIS 14 Cb -0.11 -1.42 0.13 0.00 1.11 0.00 0.00 32.58 32.28 2jtc s HIS 14 CO 0.24 -0.80 0.93 0.66 -0.85 0.00 0.00 174.74 174.92 2jtc n TYR 15 N 3.59 -2.72 -2.97 1.40 4.02 -1.25 -3.15 117.16 116.08 2jtc n TYR 15 Ca 0.13 -1.87 0.00 0.00 -0.01 0.00 0.00 57.90 56.14 2jtc n TYR 15 Cb 0.37 -0.67 0.00 0.00 -0.02 0.00 0.00 39.34 39.03 2jtc n TYR 15 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2jtc n ASN 16 N -2.71 0.00 0.00 7.72 2.85 -1.26 -4.94 115.26 116.91 2jtc n ASN 16 Ca 0.16 -0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.24 2jtc n ASN 16 Cb 0.59 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.61 2jtc n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jtc n GLN 17 N 0.00 1.95 -0.03 1.20 6.02 -1.26 -4.68 117.38 120.58 2jtc n GLN 17 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 2jtc n GLN 17 Cb 0.00 -0.88 -0.04 0.00 1.02 0.00 0.00 30.24 30.34 2jtc n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jtc n GLY 18 N 2.09 -0.18 0.00 1.08 0.00 -1.26 -0.17 105.19 106.75 2jtc n GLY 18 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2jtc n GLY 18 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jtc n ASN 19 N -2.43 0.00 0.00 1.61 4.05 -1.26 -3.47 115.26 113.76 2jtc n ASN 19 Ca -0.10 0.00 0.07 0.00 0.45 0.00 0.00 54.58 55.00 2jtc n ASN 19 Cb 0.65 0.00 0.43 0.00 1.23 0.00 0.00 39.78 42.08 2jtc n ASN 19 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2jtc n PRO 20 N 0.00 0.72 0.07 1.20 -0.04 -1.26 -2.65 135.00 133.04 2jtc n PRO 20 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2jtc n PRO 20 Cb 0.00 -1.31 -0.13 0.00 -0.04 0.00 0.00 33.50 32.02 2jtc n PRO 20 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2jtc h TYR 21 N 0.00 0.14 -0.40 0.54 -1.99 -1.88 -3.15 116.97 110.23 2jtc h TYR 21 Ca 0.00 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.63 2jtc h TYR 21 Cb 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.72 2jtc h TYR 21 CO 0.00 1.08 0.00 0.27 -0.00 0.00 0.00 178.16 179.51 2jtc n ASN 22 N -3.39 3.20 0.00 3.88 6.94 -1.09 -4.12 115.26 120.69 2jtc n ASN 22 Ca -0.03 -2.30 0.07 0.00 -0.02 0.00 0.00 54.58 52.30 2jtc n ASN 22 Cb 0.97 -0.47 0.34 0.00 -2.36 0.00 0.00 39.78 38.27 2jtc n ASN 22 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2jtc n LEU 23 N 0.59 0.00 0.00 -4.53 4.77 -1.19 -2.67 117.00 113.97 2jtc n LEU 23 Ca 0.16 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2jtc n LEU 23 Cb 0.62 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2jtc n LEU 23 CO 0.15 -0.18 0.01 0.18 -1.33 0.00 0.00 177.39 176.23 2jtc n LEU 24 N -1.35 0.05 -4.54 2.23 4.77 -1.26 -5.02 117.00 111.89 2jtc n LEU 24 Ca 0.06 -0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 55.37 2jtc n LEU 24 Cb 0.13 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.45 2jtc n LEU 24 CO 0.12 0.01 0.56 0.42 -1.33 0.00 0.00 177.39 177.17 2jtc s THR 25 N -0.65 2.04 0.44 -5.08 -4.23 -1.09 -4.87 115.64 102.21 2jtc s THR 25 Ca 0.00 0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.29 2jtc s THR 25 Cb 0.00 -2.06 -0.08 0.00 1.34 0.00 0.00 72.50 71.71 2jtc s THR 25 CO 0.00 -0.02 1.16 -2.16 -0.54 0.00 0.00 174.62 173.07 2jtc s PRO 26 N -4.51 3.84 0.30 3.99 0.04 -1.26 -4.64 135.00 132.75 2jtc s PRO 26 Ca 0.68 1.78 -0.16 0.00 0.04 0.00 0.00 61.00 63.34 2jtc s PRO 26 Cb -0.24 -2.47 -0.09 0.00 0.04 0.00 0.00 34.50 31.74 2jtc s PRO 26 CO 0.63 -0.49 0.73 0.08 0.04 0.00 0.00 177.00 177.99 2jtc s VAL 27 N -1.52 4.65 0.43 -0.36 1.01 -1.26 -0.36 120.40 122.99 2jtc s VAL 27 Ca 0.62 1.02 -0.22 0.00 0.00 0.00 0.00 61.98 63.40 2jtc s VAL 27 Cb -0.29 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 2jtc s VAL 27 CO 0.35 -0.10 0.98 -0.63 0.00 0.00 0.00 175.10 175.70 2jtc s ILE 28 N -1.89 4.15 0.00 2.22 1.01 0.15 -4.83 121.20 122.01 2jtc s ILE 28 Ca 0.52 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.58 2jtc s ILE 28 Cb -0.12 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.75 2jtc s ILE 28 CO 0.18 -0.22 0.00 -0.62 0.00 0.00 0.00 174.94 174.28 2jtc n GLU 29 N -0.55 2.05 -4.61 2.79 1.02 0.22 0.16 120.64 121.73 2jtc n GLU 29 Ca 0.07 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.93 2jtc n GLU 29 Cb 0.53 -0.85 -0.11 0.00 -0.02 0.00 0.00 31.44 30.99 2jtc n GLU 29 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2jtc s LYS 30 N -1.45 1.94 0.18 3.49 1.02 0.34 -4.78 119.74 120.48 2jtc s LYS 30 Ca 0.00 -2.09 0.09 0.00 0.02 0.00 0.00 55.97 53.99 2jtc s LYS 30 Cb 0.00 -1.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.65 2jtc s LYS 30 CO 0.00 -0.03 -0.09 0.08 -0.92 0.00 0.00 175.35 174.38 2jtc s VAL 31 N -2.72 3.19 0.47 3.17 1.01 -1.11 -4.26 120.40 120.14 2jtc s VAL 31 Ca 0.35 -1.67 -0.07 0.00 0.00 0.00 0.00 61.98 60.59 2jtc s VAL 31 Cb 0.09 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2jtc s VAL 31 CO 0.18 -0.12 0.79 -0.75 0.00 0.00 0.00 175.10 175.20 2jtc s LYS 32 N -2.85 3.59 -0.54 2.72 2.20 -1.26 -4.73 119.74 118.87 2jtc s LYS 32 Ca 0.25 0.28 -0.27 0.00 -0.36 0.00 0.00 55.97 55.87 2jtc s LYS 32 Cb -0.09 -2.37 0.03 0.00 -1.51 0.00 0.00 37.83 33.90 2jtc s LYS 32 CO 0.15 -0.19 1.08 -1.25 -0.36 0.00 0.00 175.35 174.78 2jtc s PRO 33 N -4.57 3.49 0.00 4.03 0.04 -1.26 -3.05 135.00 133.67 2jtc s PRO 33 Ca 0.48 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2jtc s PRO 33 Cb -0.10 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.44 2jtc s PRO 33 CO 0.43 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 176.35 2jtc n GLY 34 N 5.04 0.83 3.43 0.56 0.00 -1.26 -5.08 105.19 108.70 2jtc n GLY 34 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 2jtc n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jtc s GLU 35 N -0.93 1.55 1.32 1.61 2.12 -1.17 -5.13 118.70 118.07 2jtc s GLU 35 Ca 0.00 -1.69 -0.19 0.00 0.36 0.00 0.00 54.97 53.45 2jtc s GLU 35 Cb 0.00 -1.58 0.33 0.00 0.26 0.00 0.00 34.13 33.14 2jtc s GLU 35 CO 0.00 0.29 0.98 -0.65 -0.54 0.00 0.00 175.26 175.34 2jtc s GLN 36 N -3.45 -2.11 0.11 4.30 -1.52 -1.26 -4.60 119.66 111.13 2jtc s GLN 36 Ca 0.27 0.34 -0.29 0.00 -1.95 0.00 0.00 55.36 53.72 2jtc s GLN 36 Cb -0.04 -1.46 -0.06 0.00 -0.22 0.00 0.00 33.01 31.23 2jtc s GLN 36 CO 0.12 -4.39 0.94 0.45 -0.25 0.00 0.00 175.29 172.16 2jtc s SER 37 N -3.02 7.47 -0.05 5.90 0.15 -1.26 -4.44 113.70 118.46 2jtc s SER 37 Ca 0.69 1.76 0.07 0.00 0.70 0.00 0.00 55.95 59.17 2jtc s SER 37 Cb -0.17 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 61.68 2jtc s SER 37 CO 0.60 -0.04 1.04 0.49 1.20 0.00 0.00 173.24 176.53 2jtc n PHE 38 N 2.70 0.00 -1.92 3.44 3.72 -1.26 -5.01 117.46 119.13 2jtc n PHE 38 Ca 0.01 -0.66 -0.40 0.00 -0.05 0.00 0.00 57.45 56.35 2jtc n PHE 38 Cb 0.49 -0.09 -0.00 0.00 -0.94 0.00 0.00 39.48 38.94 2jtc n PHE 38 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2jtc s VAL 39 N -1.66 2.32 0.00 -4.37 1.01 -1.26 -1.21 120.40 115.22 2jtc s VAL 39 Ca 0.12 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2jtc s VAL 39 Cb 0.10 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2jtc s VAL 39 CO 0.01 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2jtc n GLY 40 N 0.60 1.41 3.74 4.51 0.00 0.12 -4.89 105.19 110.68 2jtc n GLY 40 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2jtc n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jtc s GLN 41 N -0.04 4.41 -0.36 1.61 -0.21 -0.35 -4.72 119.66 120.00 2jtc s GLN 41 Ca 0.00 0.87 -0.29 0.00 0.02 0.00 0.00 55.36 55.97 2jtc s GLN 41 Cb 0.00 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.62 2jtc s GLN 41 CO 0.00 0.22 1.49 -1.01 -2.12 0.00 0.00 175.29 173.87 2jtc s HIS 42 N 0.24 2.30 0.97 0.91 3.76 -1.26 0.31 115.29 122.52 2jtc s HIS 42 Ca 0.35 0.68 -0.13 0.00 -0.15 0.00 0.00 55.06 55.80 2jtc s HIS 42 Cb -0.19 -4.20 0.04 0.00 1.11 0.00 0.00 32.58 29.35 2jtc s HIS 42 CO 0.19 -2.21 0.34 0.00 -0.85 0.00 0.00 174.74 172.21 2jtc n ALA 43 N 8.89 -2.84 -1.78 -1.40 0.00 0.51 -4.87 120.51 119.02 2jtc n ALA 43 Ca 0.18 -0.70 -0.29 0.00 0.00 0.00 0.00 53.44 52.63 2jtc n ALA 43 Cb 0.47 -1.76 0.10 0.00 0.00 0.00 0.00 19.45 18.27 2jtc n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jtc s ALA 44 N -2.37 2.40 0.08 0.00 0.00 -0.80 -4.68 121.76 116.38 2jtc s ALA 44 Ca 0.56 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 2jtc s ALA 44 Cb -0.20 -2.99 -0.27 0.00 0.00 0.00 0.00 23.12 19.67 2jtc s ALA 44 CO 0.68 -1.83 1.13 1.79 0.00 0.00 0.00 175.76 177.53 2jtc h THR 45 N -1.16 1.50 0.00 0.00 1.35 -0.88 -3.42 112.91 110.29 2jtc h THR 45 Ca -0.47 -3.11 0.00 0.00 -0.55 0.00 0.00 66.41 62.28 2jtc h THR 45 Cb 1.32 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 70.64 2jtc h THR 45 CO 0.64 0.90 0.00 0.61 -0.25 0.00 0.00 175.52 177.42 2jtc n GLY 46 N 1.51 2.58 0.19 5.82 0.00 -1.25 -4.38 105.19 109.65 2jtc n GLY 46 Ca -0.08 -1.48 -0.03 0.00 0.00 0.00 0.00 46.02 44.44 2jtc n GLY 46 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jtc h SER 47 N 0.00 -0.04 -0.33 1.61 4.64 -1.91 0.11 113.55 117.63 2jtc h SER 47 Ca 0.00 0.09 0.06 0.00 -0.47 0.00 0.00 61.79 61.47 2jtc h SER 47 Cb 0.00 0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 62.14 2jtc h SER 47 CO 0.00 0.01 -0.44 0.58 -0.87 0.00 0.00 176.83 176.11 2jtc h VAL 48 N 0.20 0.11 -0.49 0.95 2.07 -1.83 0.65 116.25 117.90 2jtc h VAL 48 Ca 0.23 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.76 2jtc h VAL 48 Cb 0.31 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 2jtc h VAL 48 CO -0.32 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.59 2jtc h ALA 49 N 0.30 0.63 -0.79 1.67 0.00 -1.45 -0.99 119.26 118.63 2jtc h ALA 49 Ca 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2jtc h ALA 49 Cb 0.60 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2jtc h ALA 49 CO -0.53 0.06 0.36 1.15 0.00 0.00 0.00 179.25 180.29 2jtc h THR 50 N 0.66 1.25 -0.40 0.00 2.02 0.60 1.92 112.91 118.95 2jtc h THR 50 Ca 0.18 -0.72 -0.13 0.00 0.77 0.00 0.00 66.41 66.51 2jtc h THR 50 Cb -0.06 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2jtc h THR 50 CO -0.05 0.30 -0.29 0.00 0.37 0.00 0.00 175.52 175.86 2jtc h ALA 51 N 1.27 0.74 0.14 6.16 0.00 0.66 0.81 119.26 129.04 2jtc h ALA 51 Ca 0.27 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2jtc h ALA 51 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jtc h ALA 51 CO -0.03 0.66 -0.07 1.15 0.00 0.00 0.00 179.25 180.96 2jtc h THR 52 N 0.73 0.76 -0.89 0.00 2.02 -0.55 -2.31 112.91 112.67 2jtc h THR 52 Ca 0.08 -1.21 0.20 0.00 0.77 0.00 0.00 66.41 66.25 2jtc h THR 52 Cb 0.84 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 68.52 2jtc h THR 52 CO 0.07 0.22 0.59 0.00 0.37 0.00 0.00 175.52 176.77 2jtc h ALA 53 N -0.44 2.19 0.32 6.16 0.00 0.30 1.30 119.26 129.09 2jtc h ALA 53 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2jtc h ALA 53 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2jtc h ALA 53 CO 0.03 -0.46 -0.15 1.96 0.00 0.00 0.00 179.25 180.62 2jtc h GLN 54 N 0.41 -0.42 0.00 0.00 4.20 -0.80 0.30 115.11 118.80 2jtc h GLN 54 Ca 0.46 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.19 2jtc h GLN 54 Cb 1.13 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 2jtc h GLN 54 CO -0.17 -0.17 -0.04 0.82 -0.67 0.00 0.00 178.83 178.60 2jtc h ILE 55 N -0.61 0.25 -0.12 2.54 2.04 -0.25 0.11 117.51 121.47 2jtc h ILE 55 Ca -0.04 -0.24 -0.20 0.00 1.00 0.00 0.00 64.86 65.37 2jtc h ILE 55 Cb 0.44 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2jtc h ILE 55 CO 0.07 0.03 -0.75 0.24 0.00 0.00 0.00 178.15 177.75 2jtc h MET 56 N 0.00 0.60 -0.30 2.37 2.86 0.28 -3.00 114.93 117.73 2jtc h MET 56 Ca -0.00 -0.48 -0.18 0.00 -2.06 0.00 0.00 59.70 56.97 2jtc h MET 56 Cb 0.18 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2jtc h MET 56 CO 0.00 1.10 -0.54 -0.22 1.06 0.00 0.00 176.91 178.32 2jtc h LYS 57 N 0.41 0.89 -0.69 1.72 1.63 0.18 1.14 116.57 121.85 2jtc h LYS 57 Ca -0.04 -0.56 0.18 0.00 -0.85 0.00 0.00 60.65 59.38 2jtc h LYS 57 Cb 1.34 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 33.00 2jtc h LYS 57 CO 0.14 1.19 0.48 -0.92 -3.45 0.00 0.00 179.45 176.90 2jtc h TYR 58 N 0.68 0.17 0.00 1.91 5.03 -0.82 -2.07 116.97 121.87 2jtc h TYR 58 Ca 0.02 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 2jtc h TYR 58 Cb 1.15 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.36 2jtc h TYR 58 CO 0.07 0.06 -1.66 0.72 -1.32 0.00 0.00 178.16 176.03 2jtc n HIS 59 N -4.39 0.00 -4.13 -3.82 8.25 -1.08 -4.99 115.22 105.05 2jtc n HIS 59 Ca 0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.18 2jtc n HIS 59 Cb 0.67 -0.37 -0.01 0.00 1.12 0.00 0.00 29.99 31.39 2jtc n HIS 59 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2jtc n ASN 60 N -2.08 -2.61 0.00 0.41 0.23 0.39 -4.87 115.26 106.74 2jtc n ASN 60 Ca -0.07 -1.25 0.00 0.00 -0.53 0.00 0.00 54.58 52.73 2jtc n ASN 60 Cb 0.48 -1.51 0.00 0.00 -2.08 0.00 0.00 39.78 36.66 2jtc n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jtc n TYR 61 N -4.80 0.00 -2.04 -2.53 9.36 -1.26 -4.71 117.16 111.19 2jtc n TYR 61 Ca -0.16 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.65 2jtc n TYR 61 Cb 0.57 -0.42 -0.03 0.00 -0.63 0.00 0.00 39.34 38.83 2jtc n TYR 61 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2jtc s PRO 62 N -1.07 3.04 0.52 2.98 0.04 -1.26 -4.78 135.00 134.47 2jtc s PRO 62 Ca 0.00 1.05 0.31 0.00 0.04 0.00 0.00 61.00 62.40 2jtc s PRO 62 Cb 0.00 -4.27 1.15 0.00 0.04 0.00 0.00 34.50 31.42 2jtc s PRO 62 CO 0.00 -2.22 1.91 -0.91 0.04 0.00 0.00 177.00 175.82 2jtc h ASN 63 N 13.68 0.00 -3.97 6.66 -0.26 -1.84 -3.39 115.58 126.45 2jtc h ASN 63 Ca -0.30 0.00 -0.37 0.00 -0.56 0.00 0.00 56.30 55.08 2jtc h ASN 63 Cb 1.16 0.00 -0.29 0.00 -1.06 0.00 0.00 38.32 38.14 2jtc h ASN 63 CO 1.12 0.02 -0.77 -0.75 -1.06 0.00 0.00 177.43 175.99 2jtc s LYS 64 N -3.59 0.61 0.59 0.81 2.20 -1.26 0.10 119.74 119.21 2jtc s LYS 64 Ca 0.02 -0.26 -0.20 0.00 -0.36 0.00 0.00 55.97 55.17 2jtc s LYS 64 Cb 0.08 -0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 35.78 2jtc s LYS 64 CO 0.57 0.16 1.22 0.41 -0.36 0.00 0.00 175.35 177.35 2jtc n GLY 65 N 2.92 0.37 0.11 5.54 0.00 -0.99 -4.89 105.19 108.25 2jtc n GLY 65 Ca -0.13 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 2jtc n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jtc h LEU 66 N 0.86 0.15 -7.30 0.99 6.46 -1.59 -3.38 115.31 111.50 2jtc h LEU 66 Ca -0.50 -0.69 -0.12 0.00 -0.12 0.00 0.00 57.88 56.46 2jtc h LEU 66 Cb 1.33 -0.05 -0.24 0.00 -0.73 0.00 0.00 40.66 40.98 2jtc h LEU 66 CO 0.54 1.57 -0.21 -0.75 -0.62 0.00 0.00 178.44 178.97 2jtc s LYS 67 N -2.42 0.51 1.18 1.25 2.20 -1.18 -4.46 119.74 116.82 2jtc s LYS 67 Ca -0.25 0.56 -0.17 0.00 -0.36 0.00 0.00 55.97 55.75 2jtc s LYS 67 Cb 0.05 0.25 0.27 0.00 -1.51 0.00 0.00 37.83 36.90 2jtc s LYS 67 CO 0.66 -0.07 1.07 -0.51 -0.36 0.00 0.00 175.35 176.15 2jtc s ASP 68 N 0.15 1.09 -0.02 1.43 1.01 -1.26 -3.41 116.67 115.65 2jtc s ASP 68 Ca -0.01 0.91 -0.19 0.00 0.71 0.00 0.00 52.55 53.98 2jtc s ASP 68 Cb -0.03 -1.36 0.03 0.00 1.01 0.00 0.00 42.92 42.57 2jtc s ASP 68 CO 0.01 -4.05 0.40 -0.47 0.21 0.00 0.00 175.17 171.27 2jtc s TYR 69 N -2.83 -0.30 0.16 4.23 6.14 0.08 -4.80 117.35 120.04 2jtc s TYR 69 Ca 0.69 0.47 -0.11 0.00 0.64 0.00 0.00 57.07 58.75 2jtc s TYR 69 Cb -0.15 0.17 0.00 0.00 0.42 0.00 0.00 41.96 42.41 2jtc s TYR 69 CO 0.58 -0.45 0.34 -0.08 0.64 0.00 0.00 175.55 176.57 2jtc s THR 70 N -1.34 0.06 -0.10 4.34 -1.32 -1.26 0.78 115.64 116.81 2jtc s THR 70 Ca -0.13 -1.20 -0.30 0.00 -1.21 0.00 0.00 61.69 58.85 2jtc s THR 70 Cb -0.04 -1.71 0.12 0.00 -1.51 0.00 0.00 72.50 69.36 2jtc s THR 70 CO 0.05 -0.29 0.99 -0.72 -2.21 0.00 0.00 174.62 172.45 2jtc s TYR 71 N -3.93 -0.32 -0.13 9.09 1.13 -0.74 -4.96 117.35 117.49 2jtc s TYR 71 Ca 0.14 0.36 -0.17 0.00 -1.41 0.00 0.00 57.07 55.98 2jtc s TYR 71 Cb 0.02 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.34 2jtc s TYR 71 CO -0.02 -0.40 0.43 0.99 -2.51 0.00 0.00 175.55 174.03 2jtc s THR 72 N -2.16 5.22 0.54 -3.49 2.01 -1.26 -0.67 115.64 115.82 2jtc s THR 72 Ca 0.03 0.84 -0.18 0.00 0.31 0.00 0.00 61.69 62.69 2jtc s THR 72 Cb -0.01 -3.76 -0.11 0.00 0.01 0.00 0.00 72.50 68.63 2jtc s THR 72 CO -0.04 0.35 0.26 -0.11 -0.69 0.00 0.00 174.62 174.39 2jtc n LEU 73 N 3.60 -1.03 -4.76 4.42 7.94 0.43 -4.82 117.00 122.79 2jtc n LEU 73 Ca -0.09 0.71 -0.41 0.00 -1.11 0.00 0.00 56.01 55.11 2jtc n LEU 73 Cb 0.52 -1.04 -0.01 0.00 0.53 0.00 0.00 43.42 43.41 2jtc n LEU 73 CO 0.42 -3.75 1.17 -0.55 -1.11 0.00 0.00 177.39 173.57 2jtc s SER 74 N -1.10 6.41 0.00 1.96 0.15 -1.26 -4.81 113.70 115.05 2jtc s SER 74 Ca 0.64 2.95 0.07 0.00 0.70 0.00 0.00 55.95 60.30 2jtc s SER 74 Cb -0.47 -2.65 0.32 0.00 -1.71 0.00 0.00 66.02 61.51 2jtc s SER 74 CO 0.59 -0.85 1.12 -0.24 1.20 0.00 0.00 173.24 175.06 2jtc n SER 75 N 1.42 0.00 -0.32 5.45 2.88 -1.26 -0.95 113.62 120.84 2jtc n SER 75 Ca 0.05 0.30 0.11 0.00 -1.33 0.00 0.00 58.87 58.00 2jtc n SER 75 Cb 0.39 -0.36 0.10 0.00 -0.75 0.00 0.00 64.21 63.58 2jtc n SER 75 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2jtc n ASN 76 N -1.36 1.50 -4.61 -3.46 4.13 -1.26 -4.88 115.26 105.32 2jtc n ASN 76 Ca 0.03 -1.18 -0.43 0.00 1.68 0.00 0.00 54.58 54.67 2jtc n ASN 76 Cb 0.06 0.46 -0.02 0.00 -1.54 0.00 0.00 39.78 38.73 2jtc n ASN 76 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2jtc s ASN 77 N -2.60 6.22 -0.02 6.41 3.84 -0.12 -4.84 114.94 123.82 2jtc s ASN 77 Ca 0.18 1.26 0.09 0.00 0.21 0.00 0.00 52.86 54.59 2jtc s ASN 77 Cb 0.18 -2.53 0.30 0.00 -0.55 0.00 0.00 41.25 38.64 2jtc s ASN 77 CO 0.61 -1.45 1.19 -0.81 -2.79 0.00 0.00 177.10 173.85 2jtc n PRO 78 N 8.02 1.95 0.00 0.43 -0.04 -1.26 -3.89 135.00 140.21 2jtc n PRO 78 Ca 0.19 -1.19 0.08 0.00 -0.04 0.00 0.00 63.50 62.54 2jtc n PRO 78 Cb 0.47 -1.38 0.04 0.00 -0.04 0.00 0.00 33.50 32.58 2jtc n PRO 78 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jtc n TYR 79 N 0.39 0.00 -4.04 0.54 4.01 -1.26 -2.76 117.16 114.04 2jtc n TYR 79 Ca 0.11 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.77 2jtc n TYR 79 Cb 0.36 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.30 2jtc n TYR 79 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2jtc s PHE 80 N -1.49 0.51 0.00 -0.72 0.40 -1.25 0.13 117.98 115.55 2jtc s PHE 80 Ca 0.16 -0.97 0.00 0.00 -0.60 0.00 0.00 56.93 55.51 2jtc s PHE 80 Cb 0.12 -0.30 0.00 0.00 0.51 0.00 0.00 43.02 43.35 2jtc s PHE 80 CO 0.27 -0.49 0.50 0.09 0.70 0.00 0.00 175.22 176.29 2jtc n ASN 81 N -0.01 0.00 0.00 1.36 3.02 -1.26 -4.84 115.26 113.53 2jtc n ASN 81 Ca -0.11 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 2jtc n ASN 81 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 2jtc n ASN 81 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2jtc n HIS 82 N -0.81 0.00 -1.00 3.10 8.25 -1.26 -4.95 115.22 118.55 2jtc n HIS 82 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 2jtc n HIS 82 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 2jtc n HIS 82 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jtc n PRO 83 N 0.00 2.56 -3.56 -0.41 -0.04 -1.26 -4.26 135.00 128.03 2jtc n PRO 83 Ca 0.00 -1.50 -0.41 0.00 -0.04 0.00 0.00 63.50 61.55 2jtc n PRO 83 Cb 0.00 -2.37 -0.09 0.00 -0.04 0.00 0.00 33.50 30.99 2jtc n PRO 83 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2jtc s LYS 84 N 2.08 2.62 -0.17 0.54 2.47 -1.26 -4.96 119.74 121.05 2jtc s LYS 84 Ca 0.58 -1.54 -0.09 0.00 -1.56 0.00 0.00 55.97 53.37 2jtc s LYS 84 Cb 0.20 -3.87 -0.05 0.00 -1.46 0.00 0.00 37.83 32.65 2jtc s LYS 84 CO -0.03 -1.04 0.12 -0.80 0.16 0.00 0.00 175.35 173.76 2jtc s ASN 85 N 2.36 6.12 -0.11 1.43 0.01 -1.26 0.16 114.94 123.66 2jtc s ASN 85 Ca 0.04 0.26 -0.04 0.00 -0.71 0.00 0.00 52.86 52.41 2jtc s ASN 85 Cb -0.24 -2.04 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 2jtc s ASN 85 CO 0.02 0.24 0.03 -0.76 -1.51 0.00 0.00 177.10 175.12 2jtc s LEU 86 N -0.02 3.75 -0.11 0.60 1.02 0.16 -4.91 118.68 119.17 2jtc s LEU 86 Ca 0.09 0.18 0.02 0.00 0.02 0.00 0.00 54.13 54.44 2jtc s LEU 86 Cb -0.11 -1.89 0.01 0.00 0.02 0.00 0.00 46.19 44.22 2jtc s LEU 86 CO -0.00 0.34 -0.15 0.12 0.02 0.00 0.00 176.35 176.68 2jtc s PHE 87 N -0.65 1.99 -0.40 0.29 5.36 -1.26 -1.79 117.98 121.51 2jtc s PHE 87 Ca 0.11 -0.94 -0.08 0.00 -0.96 0.00 0.00 56.93 55.06 2jtc s PHE 87 Cb -0.12 -1.43 0.07 0.00 -0.34 0.00 0.00 43.02 41.20 2jtc s PHE 87 CO 0.02 -0.48 0.22 0.00 -1.46 0.00 0.00 175.22 173.52 2jtc s ALA 88 N 0.99 3.22 -0.51 11.12 0.00 0.23 -4.96 121.76 131.86 2jtc s ALA 88 Ca -0.06 -2.08 -0.05 0.00 0.00 0.00 0.00 51.96 49.76 2jtc s ALA 88 Cb -0.15 -2.54 -0.12 0.00 0.00 0.00 0.00 23.12 20.31 2jtc s ALA 88 CO -0.02 -1.59 2.41 0.00 0.00 0.00 0.00 175.76 176.57 2jtc n ALA 89 N 4.87 4.88 -0.02 0.00 0.00 -1.26 -0.74 120.51 128.22 2jtc n ALA 89 Ca -0.10 -1.72 -0.09 0.00 0.00 0.00 0.00 53.44 51.53 2jtc n ALA 89 Cb 0.43 -2.67 -0.02 0.00 0.00 0.00 0.00 19.45 17.19 2jtc n ALA 89 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2jtc h ILE 90 N 2.83 0.45 -0.85 0.00 2.04 -1.87 0.16 117.51 120.27 2jtc h ILE 90 Ca 0.34 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.45 2jtc h ILE 90 Cb 0.60 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2jtc h ILE 90 CO 0.89 0.00 0.97 0.77 0.00 0.00 0.00 178.15 180.78 2jtc h SER 91 N -0.25 0.00 -0.70 1.72 4.64 -1.72 2.03 113.55 119.27 2jtc h SER 91 Ca 0.12 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.98 2jtc h SER 91 Cb 0.42 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.24 2jtc h SER 91 CO -0.32 0.00 0.01 0.35 -0.87 0.00 0.00 176.83 176.00 2jtc n THR 92 N -3.41 2.90 -3.59 2.95 -2.24 0.56 -4.37 114.28 107.07 2jtc n THR 92 Ca 0.19 -3.19 -0.27 0.00 -2.27 0.00 0.00 64.05 58.51 2jtc n THR 92 Cb 1.24 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 2jtc n THR 92 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jtc s ARG 93 N -3.52 3.53 -0.51 -0.78 1.81 0.69 -4.91 118.95 115.26 2jtc s ARG 93 Ca 0.53 -0.30 0.03 0.00 -1.72 0.00 0.00 55.73 54.27 2jtc s ARG 93 Cb 0.44 -2.78 0.13 0.00 -0.45 0.00 0.00 34.95 32.29 2jtc s ARG 93 CO 0.02 0.33 0.26 -0.65 -0.68 0.00 0.00 175.30 174.58 2jtc s GLN 94 N -3.55 2.01 -1.06 3.54 -1.52 -1.26 -2.35 119.66 115.48 2jtc s GLN 94 Ca 0.39 -2.51 -0.21 0.00 -1.95 0.00 0.00 55.36 51.08 2jtc s GLN 94 Cb -0.11 -3.38 0.07 0.00 -0.22 0.00 0.00 33.01 29.38 2jtc s GLN 94 CO 0.30 -1.10 1.45 0.71 -0.25 0.00 0.00 175.29 176.40 2jtc s TYR 95 N -0.10 2.68 -1.03 0.91 2.02 0.29 -4.92 117.35 117.20 2jtc s TYR 95 Ca 0.16 -1.08 -0.23 0.00 -0.37 0.00 0.00 57.07 55.55 2jtc s TYR 95 Cb -0.24 -4.64 0.05 0.00 -0.40 0.00 0.00 41.96 36.73 2jtc s TYR 95 CO -0.02 -1.84 1.48 1.21 -1.57 0.00 0.00 175.55 174.81 2jtc s ASN 96 N 4.61 6.47 0.00 2.29 3.84 -1.26 -4.46 114.94 126.42 2jtc s ASN 96 Ca 0.45 -1.46 0.02 0.00 0.21 0.00 0.00 52.86 52.08 2jtc s ASN 96 Cb -0.00 -2.57 0.09 0.00 -0.55 0.00 0.00 41.25 38.22 2jtc s ASN 96 CO -0.07 -1.54 0.91 0.79 -2.79 0.00 0.00 177.10 174.40 2jtc n TRP 97 N 9.04 0.00 0.45 0.43 7.02 -1.26 -0.01 117.44 133.12 2jtc n TRP 97 Ca 0.34 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.94 2jtc n TRP 97 Cb 0.51 -0.33 0.11 0.00 -2.42 0.00 0.00 31.31 29.18 2jtc n TRP 97 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 2jtc h ASN 98 N 0.00 0.00 0.00 -0.99 -1.24 -2.01 -3.33 115.58 108.02 2jtc h ASN 98 Ca 0.00 -0.18 -0.37 0.00 0.71 0.00 0.00 56.30 56.46 2jtc h ASN 98 Cb 0.02 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.00 2jtc h ASN 98 CO 0.00 0.09 -2.39 0.59 -1.29 0.00 0.00 177.43 174.43 2jtc n ASN 99 N -2.24 0.17 -3.56 1.15 3.02 0.99 -4.61 115.26 110.18 2jtc n ASN 99 Ca 0.02 -0.01 -0.40 0.00 -0.03 0.00 0.00 54.58 54.17 2jtc n ASN 99 Cb 0.47 0.87 -0.04 0.00 -0.61 0.00 0.00 39.78 40.47 2jtc n ASN 99 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2jtc n ILE 100 N -2.80 2.43 -1.37 2.41 5.41 -0.59 -4.60 119.36 120.26 2jtc n ILE 100 Ca -0.34 -1.96 -0.38 0.00 1.00 0.00 0.00 62.75 61.07 2jtc n ILE 100 Cb 1.14 -2.38 0.03 0.00 -0.71 0.00 0.00 39.64 37.73 2jtc n ILE 100 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2jtc n LEU 101 N 6.44 -0.75 0.14 1.39 4.77 -1.26 -4.87 117.00 122.86 2jtc n LEU 101 Ca 0.51 0.68 0.01 0.00 -0.03 0.00 0.00 56.01 57.18 2jtc n LEU 101 Cb 0.35 -1.07 0.09 0.00 -2.33 0.00 0.00 43.42 40.46 2jtc n LEU 101 CO 0.95 -3.67 0.46 1.55 -1.33 0.00 0.00 177.39 175.35 2jtc h PRO 102 N 0.06 0.00 -3.58 3.23 0.13 -1.83 -3.44 132.00 126.57 2jtc h PRO 102 Ca -0.44 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.32 2jtc h PRO 102 Cb 1.41 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.17 2jtc h PRO 102 CO 0.44 0.58 -0.75 -0.08 -0.23 0.00 0.00 178.00 177.97 2jtc s THR 103 N -3.12 0.11 -0.08 1.56 -1.32 -1.00 0.27 115.64 112.07 2jtc s THR 103 Ca 0.02 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.70 2jtc s THR 103 Cb 0.09 -0.27 -0.03 0.00 -1.51 0.00 0.00 72.50 70.79 2jtc s THR 103 CO 0.75 0.17 -0.05 -0.31 -2.21 0.00 0.00 174.62 172.96 2jtc s TYR 104 N 1.53 2.99 -2.55 9.09 1.51 -1.19 -4.89 117.35 123.84 2jtc s TYR 104 Ca -0.03 0.04 0.24 0.00 -1.01 0.00 0.00 57.07 56.31 2jtc s TYR 104 Cb -0.13 -1.74 0.40 0.00 -0.11 0.00 0.00 41.96 40.39 2jtc s TYR 104 CO -0.03 0.34 1.39 -1.13 -1.11 0.00 0.00 175.55 175.02 2jtc n SER 105 N 2.27 3.44 0.00 2.29 3.41 -1.26 -4.91 113.62 118.86 2jtc n SER 105 Ca -0.18 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 2jtc n SER 105 Cb 0.53 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2jtc n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jtc n GLY 106 N 1.50 2.18 0.58 5.00 0.00 -1.26 -4.79 105.19 108.40 2jtc n GLY 106 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 2jtc n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtc n ARG 107 N -2.00 2.65 -1.60 1.61 1.74 -1.26 -4.93 116.66 112.87 2jtc n ARG 107 Ca 0.00 -2.41 -0.29 0.00 -0.77 0.00 0.00 57.85 54.37 2jtc n ARG 107 Cb 0.00 -1.52 0.11 0.00 -1.02 0.00 0.00 32.46 30.02 2jtc n ARG 107 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2jtc s GLU 108 N -2.10 1.71 1.38 5.56 8.01 -1.26 -5.03 118.70 126.97 2jtc s GLU 108 Ca 0.30 0.42 -0.23 0.00 0.01 0.00 0.00 54.97 55.47 2jtc s GLU 108 Cb 0.23 -1.89 0.35 0.00 -4.31 0.00 0.00 34.13 28.51 2jtc s GLU 108 CO 0.09 -1.83 0.93 -1.13 0.01 0.00 0.00 175.26 173.32 2jtc n SER 109 N -3.54 -3.50 0.04 -0.19 3.41 -1.26 -4.84 113.62 103.73 2jtc n SER 109 Ca 0.07 -0.96 -0.21 0.00 -0.26 0.00 0.00 58.87 57.51 2jtc n SER 109 Cb 0.58 -0.98 -0.14 0.00 -0.26 0.00 0.00 64.21 63.40 2jtc n SER 109 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2jtc h ASN 110 N -3.34 0.45 -0.31 4.04 -0.26 -1.98 -3.03 115.58 111.15 2jtc h ASN 110 Ca -0.39 -0.91 0.07 0.00 -0.56 0.00 0.00 56.30 54.51 2jtc h ASN 110 Cb 1.29 -0.15 -0.07 0.00 -1.06 0.00 0.00 38.32 38.33 2jtc h ASN 110 CO 0.24 1.51 -0.19 0.58 -1.06 0.00 0.00 177.43 178.52 2jtc h VAL 111 N -0.32 0.47 -0.47 2.81 2.07 -1.98 1.15 116.25 119.98 2jtc h VAL 111 Ca -0.22 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2jtc h VAL 111 Cb 1.72 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2jtc h VAL 111 CO 0.12 0.00 0.22 1.56 0.02 0.00 0.00 177.57 179.49 2jtc h GLN 112 N -0.15 0.69 -0.58 1.57 7.50 -1.81 -1.86 115.11 120.46 2jtc h GLN 112 Ca 0.16 -0.11 -0.02 0.00 0.50 0.00 0.00 58.65 59.18 2jtc h GLN 112 Cb 0.40 -0.12 -0.03 0.00 0.05 0.00 0.00 27.48 27.78 2jtc h GLN 112 CO -0.40 0.59 0.27 0.87 -1.50 0.00 0.00 178.83 178.65 2jtc h LYS 113 N 0.62 0.82 -0.46 1.46 1.57 -1.07 -2.29 116.57 117.23 2jtc h LYS 113 Ca 0.16 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2jtc h LYS 113 Cb 0.13 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2jtc h LYS 113 CO -0.02 0.65 0.30 1.98 -0.57 0.00 0.00 179.45 181.78 2jtc h MET 114 N 0.82 0.62 0.05 3.15 4.05 0.21 0.58 114.93 124.41 2jtc h MET 114 Ca 0.20 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.59 2jtc h MET 114 Cb 0.10 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 2jtc h MET 114 CO -0.03 0.43 -0.10 0.00 0.23 0.00 0.00 176.91 177.44 2jtc h ALA 115 N 1.15 -0.16 -0.38 0.39 0.00 -0.78 -1.22 119.26 118.27 2jtc h ALA 115 Ca 0.17 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2jtc h ALA 115 Cb -0.05 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jtc h ALA 115 CO -0.03 -0.61 -0.35 0.97 0.00 0.00 0.00 179.25 179.23 2jtc h ILE 116 N -0.20 1.28 -0.87 0.00 6.09 -1.40 -2.68 117.51 119.72 2jtc h ILE 116 Ca 0.02 -1.52 0.05 0.00 -1.37 0.00 0.00 64.86 62.04 2jtc h ILE 116 Cb 0.22 1.35 -0.06 0.00 0.47 0.00 0.00 36.82 38.80 2jtc h ILE 116 CO -0.06 0.51 0.56 0.77 -3.07 0.00 0.00 178.15 176.85 2jtc h SER 117 N 0.73 0.90 -0.22 2.19 4.64 -0.65 -0.27 113.55 120.88 2jtc h SER 117 Ca 0.07 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.26 2jtc h SER 117 Cb 0.92 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 2jtc h SER 117 CO 0.09 0.60 -0.33 -0.08 -0.87 0.00 0.00 176.83 176.24 2jtc h GLU 118 N 1.05 0.73 0.06 4.77 4.81 -1.16 -0.35 114.58 124.49 2jtc h GLU 118 Ca 0.36 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2jtc h GLU 118 Cb 0.08 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2jtc h GLU 118 CO -0.14 0.95 -0.11 1.25 -0.73 0.00 0.00 179.01 180.23 2jtc h LEU 119 N 0.61 -0.31 -0.95 1.64 5.85 -0.92 0.59 115.31 121.83 2jtc h LEU 119 Ca 0.07 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2jtc h LEU 119 Cb 0.85 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 2jtc h LEU 119 CO 0.07 -0.17 0.62 0.24 -0.34 0.00 0.00 178.44 178.87 2jtc h MET 120 N -0.22 1.21 -0.54 1.25 2.86 -0.89 0.82 114.93 119.41 2jtc h MET 120 Ca 0.02 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 2jtc h MET 120 Cb 0.24 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2jtc h MET 120 CO -0.07 0.80 0.03 0.00 1.06 0.00 0.00 176.91 178.73 2jtc h ALA 121 N 1.37 1.04 0.41 6.32 0.00 -0.17 2.65 119.26 130.88 2jtc h ALA 121 Ca 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2jtc h ALA 121 Cb -0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2jtc h ALA 121 CO -0.10 0.60 -0.20 -0.44 0.00 0.00 0.00 179.25 179.12 2jtc h ASP 122 N 0.83 -0.47 -0.14 0.00 3.32 0.16 0.38 116.42 120.51 2jtc h ASP 122 Ca 0.16 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2jtc h ASP 122 Cb 0.45 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2jtc h ASP 122 CO 0.02 -0.05 0.07 0.58 -1.72 0.00 0.00 179.24 178.14 2jtc h VAL 123 N -1.01 1.10 0.03 -1.35 2.07 0.70 2.13 116.25 119.93 2jtc h VAL 123 Ca -0.06 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.22 2jtc h VAL 123 Cb 0.54 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2jtc h VAL 123 CO 0.09 0.09 -0.25 1.23 0.02 0.00 0.00 177.57 178.76 2jtc h GLY 124 N 0.12 -0.40 0.71 2.17 0.00 0.46 0.18 103.07 106.31 2jtc h GLY 124 Ca 0.05 0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 2jtc h GLY 124 CO -0.01 -0.21 -0.12 -2.22 0.00 0.00 0.00 176.54 173.98 2jtc h ILE 125 N -0.40 0.80 -1.32 2.60 2.04 -0.01 0.15 117.51 121.37 2jtc h ILE 125 Ca 0.05 -0.55 0.38 0.00 1.00 0.00 0.00 64.86 65.74 2jtc h ILE 125 Cb 0.47 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 2jtc h ILE 125 CO -0.20 0.12 0.92 0.77 0.00 0.00 0.00 178.15 179.76 2jtc h SER 126 N -0.63 0.12 -0.98 1.72 4.64 0.38 0.82 113.55 119.63 2jtc h SER 126 Ca -0.03 0.04 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 2jtc h SER 126 Cb 0.45 0.02 -0.30 0.00 -0.31 0.00 0.00 62.40 62.26 2jtc h SER 126 CO 0.06 -0.01 0.74 1.33 -0.87 0.00 0.00 176.83 178.08 2jtc n VAL 127 N -4.30 3.52 -4.08 0.95 0.24 0.61 -4.77 118.33 110.50 2jtc n VAL 127 Ca 0.31 -2.92 -0.28 0.00 -2.04 0.00 0.00 64.34 59.40 2jtc n VAL 127 Cb 1.34 -1.09 -0.08 0.00 -1.47 0.00 0.00 33.84 32.54 2jtc n VAL 127 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2jtc n ASP 128 N -0.93 0.41 -4.70 -1.34 9.92 0.29 -3.91 116.55 116.29 2jtc n ASP 128 Ca 0.61 -1.12 -0.42 0.00 -0.53 0.00 0.00 54.79 53.33 2jtc n ASP 128 Cb 0.77 -1.38 -0.03 0.00 -0.64 0.00 0.00 41.12 39.84 2jtc n ASP 128 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 2jtc s MET 129 N -6.86 4.23 -0.11 -1.24 1.75 0.49 -4.57 119.30 112.99 2jtc s MET 129 Ca 0.04 2.26 -0.30 0.00 -1.25 0.00 0.00 55.69 56.45 2jtc s MET 129 Cb -0.02 -3.40 -0.02 0.00 2.84 0.00 0.00 34.83 34.23 2jtc s MET 129 CO 0.87 -0.63 1.19 0.34 -0.65 0.00 0.00 175.02 176.14 2jtc s ASP 130 N 1.73 7.04 -0.28 1.11 -1.08 0.19 -4.88 116.67 120.51 2jtc s ASP 130 Ca 0.70 1.71 -0.09 0.00 -0.52 0.00 0.00 52.55 54.35 2jtc s ASP 130 Cb -0.40 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.49 2jtc s ASP 130 CO 0.31 -0.64 0.13 -0.31 0.52 0.00 0.00 175.17 175.18 2jtc s TYR 131 N 2.71 3.15 0.00 -5.34 2.02 -1.26 -2.17 117.35 116.45 2jtc s TYR 131 Ca 0.54 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.92 2jtc s TYR 131 Cb -0.22 -2.31 0.00 0.00 -0.40 0.00 0.00 41.96 39.03 2jtc s TYR 131 CO 0.18 -0.33 0.00 0.41 -1.57 0.00 0.00 175.55 174.23 2jtc n GLY 132 N 4.98 3.57 0.25 0.71 0.00 -1.26 -4.79 105.19 108.65 2jtc n GLY 132 Ca -0.15 -1.15 0.05 0.00 0.00 0.00 0.00 46.02 44.78 2jtc n GLY 132 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jtc h PRO 133 N 0.00 0.11 -6.18 1.61 0.13 -1.91 -2.13 132.00 123.63 2jtc h PRO 133 Ca 0.00 -0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 64.44 2jtc h PRO 133 Cb 0.00 -0.02 -0.17 0.00 0.13 0.00 0.00 31.00 30.94 2jtc h PRO 133 CO 0.00 0.19 -0.68 -1.12 -0.23 0.00 0.00 178.00 176.15 2jtc s SER 134 N -6.97 4.76 -0.22 1.44 0.01 -1.26 -4.01 113.70 107.46 2jtc s SER 134 Ca -0.05 -0.04 0.02 0.00 1.31 0.00 0.00 55.95 57.18 2jtc s SER 134 Cb 0.16 -1.19 0.05 0.00 0.21 0.00 0.00 66.02 65.25 2jtc s SER 134 CO 0.70 0.33 -0.11 -0.44 0.41 0.00 0.00 173.24 174.12 2jtc s SER 135 N -1.12 3.79 -0.14 2.44 0.01 -1.26 -4.64 113.70 112.77 2jtc s SER 135 Ca 0.15 -1.07 -0.04 0.00 1.31 0.00 0.00 55.95 56.30 2jtc s SER 135 Cb -0.11 -1.38 -0.03 0.00 0.21 0.00 0.00 66.02 64.71 2jtc s SER 135 CO 0.05 -0.15 -0.01 -0.83 0.41 0.00 0.00 173.24 172.71 2jtc s GLY 136 N 1.27 1.79 0.00 3.44 0.00 -0.92 -3.82 107.32 109.08 2jtc s GLY 136 Ca -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.88 2jtc s GLY 136 CO -0.08 -0.17 0.00 -1.26 0.00 0.00 0.00 173.10 171.59 2jtc n SER 137 N 3.18 1.78 -0.04 1.64 2.88 -1.26 0.53 113.62 122.33 2jtc n SER 137 Ca -0.17 -0.47 -0.03 0.00 -1.33 0.00 0.00 58.87 56.87 2jtc n SER 137 Cb 0.53 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.98 2jtc n SER 137 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jtc n ALA 138 N -3.00 0.29 0.00 -1.46 0.00 -1.25 -2.91 120.51 112.18 2jtc n ALA 138 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2jtc n ALA 138 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2jtc n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtc n GLY 139 N 1.64 0.39 0.37 0.00 0.00 -1.26 -2.24 105.19 104.08 2jtc n GLY 139 Ca -0.05 -1.21 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 2jtc n GLY 139 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jtc h SER 140 N 0.00 -1.26 -0.80 1.61 0.02 -1.92 2.13 113.55 113.32 2jtc h SER 140 Ca 0.00 0.21 0.19 0.00 -0.84 0.00 0.00 61.79 61.35 2jtc h SER 140 Cb 0.00 0.57 -0.13 0.00 0.14 0.00 0.00 62.40 62.99 2jtc h SER 140 CO 0.00 -0.34 0.16 0.77 -1.14 0.00 0.00 176.83 176.28 2jtc h SER 141 N -0.28 -0.08 0.34 3.07 4.64 -1.95 1.23 113.55 120.51 2jtc h SER 141 Ca 0.16 0.18 -0.33 0.00 -0.47 0.00 0.00 61.79 61.33 2jtc h SER 141 Cb 0.56 0.26 0.03 0.00 -0.31 0.00 0.00 62.40 62.94 2jtc h SER 141 CO -0.57 -0.12 -1.46 0.03 -0.87 0.00 0.00 176.83 173.84 2jtc h ARG 142 N 0.21 0.47 0.46 4.77 2.47 -1.41 -3.00 114.38 118.35 2jtc h ARG 142 Ca 0.47 -0.80 -0.02 0.00 -1.26 0.00 0.00 59.98 58.37 2jtc h ARG 142 Cb 0.88 0.30 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 2jtc h ARG 142 CO -0.61 1.38 -0.22 0.28 0.56 0.00 0.00 179.97 181.36 2jtc h VAL 143 N 0.13 0.35 -0.54 2.04 2.07 0.54 1.22 116.25 122.07 2jtc h VAL 143 Ca -0.24 -0.53 0.09 0.00 0.82 0.00 0.00 66.70 66.84 2jtc h VAL 143 Cb 2.12 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 2jtc h VAL 143 CO 0.25 0.06 0.36 0.06 0.02 0.00 0.00 177.57 178.33 2jtc h GLN 144 N -1.00 0.34 0.04 1.57 -0.00 0.13 1.14 115.11 117.33 2jtc h GLN 144 Ca -0.06 -0.02 -0.11 0.00 -0.00 0.00 0.00 58.65 58.46 2jtc h GLN 144 Cb 0.57 -0.08 0.01 0.00 -0.00 0.00 0.00 27.48 27.99 2jtc h GLN 144 CO 0.10 0.23 -0.44 -0.09 -0.00 0.00 0.00 178.83 178.63 2jtc h ARG 145 N 0.35 0.23 -0.21 0.06 2.43 -1.38 -3.13 114.38 112.72 2jtc h ARG 145 Ca 0.25 -0.30 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 2jtc h ARG 145 Cb 0.51 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2jtc h ARG 145 CO -0.06 1.07 -0.26 0.00 -1.51 0.00 0.00 179.97 179.21 2jtc h ALA 146 N 0.17 1.16 -0.34 2.80 0.00 0.24 0.69 119.26 123.99 2jtc h ALA 146 Ca -0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jtc h ALA 146 Cb 1.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2jtc h ALA 146 CO 0.09 0.53 0.21 -0.07 0.00 0.00 0.00 179.25 180.01 2jtc h LEU 147 N 0.35 0.40 0.14 0.00 3.38 0.12 0.18 115.31 119.89 2jtc h LEU 147 Ca 0.05 -0.04 -0.35 0.00 0.09 0.00 0.00 57.88 57.63 2jtc h LEU 147 Cb 0.65 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2jtc h LEU 147 CO 0.05 0.32 -1.85 0.11 0.09 0.00 0.00 178.44 177.16 2jtc h LYS 148 N 0.45 0.29 0.06 1.13 1.57 -1.47 0.52 116.57 119.13 2jtc h LYS 148 Ca 0.12 -0.50 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2jtc h LYS 148 Cb -0.01 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2jtc h LYS 148 CO -0.02 1.19 -0.03 0.93 -0.57 0.00 0.00 179.45 180.95 2jtc h GLU 149 N 0.08 -0.08 0.12 3.15 5.08 0.39 -1.88 114.58 121.43 2jtc h GLU 149 Ca -0.37 0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 57.65 2jtc h GLU 149 Cb 2.06 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.31 2jtc h GLU 149 CO 0.13 0.48 -1.86 -0.91 -1.00 0.00 0.00 179.01 175.85 2jtc h ASN 150 N -0.72 0.39 -0.54 1.42 4.21 -0.88 -3.36 115.58 116.09 2jtc h ASN 150 Ca -0.01 -0.90 0.00 0.00 1.21 0.00 0.00 56.30 56.60 2jtc h ASN 150 Cb 0.60 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 2jtc h ASN 150 CO 0.01 1.80 0.00 0.49 -1.29 0.00 0.00 177.43 178.45 2jtc n PHE 151 N -3.63 0.71 -4.44 1.19 3.72 0.10 -2.05 117.46 113.05 2jtc n PHE 151 Ca -0.31 -0.41 -0.41 0.00 -0.05 0.00 0.00 57.45 56.27 2jtc n PHE 151 Cb 1.00 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 39.46 2jtc n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jtc n GLY 152 N 1.34 -0.36 3.52 1.37 0.00 -0.08 -4.62 105.19 106.35 2jtc n GLY 152 Ca 0.20 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 2jtc n GLY 152 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtc s TYR 153 N -3.29 1.45 0.34 1.61 1.51 0.16 -4.83 117.35 114.30 2jtc s TYR 153 Ca 0.74 1.19 -0.26 0.00 -1.01 0.00 0.00 57.07 57.73 2jtc s TYR 153 Cb -0.43 -3.13 -0.13 0.00 -0.11 0.00 0.00 41.96 38.16 2jtc s TYR 153 CO 1.00 -3.73 0.79 -1.71 -1.11 0.00 0.00 175.55 170.79 2jtc n ASN 154 N -4.81 0.24 0.30 2.29 5.15 0.75 -4.68 115.26 114.49 2jtc n ASN 154 Ca 0.04 1.06 0.16 0.00 -0.60 0.00 0.00 54.58 55.24 2jtc n ASN 154 Cb 0.54 -1.19 0.81 0.00 -0.53 0.00 0.00 39.78 39.41 2jtc n ASN 154 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2jtc h GLN 155 N 1.40 0.00 0.00 1.20 1.08 -1.88 0.11 115.11 117.03 2jtc h GLN 155 Ca -0.39 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 2jtc h GLN 155 Cb 1.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.80 2jtc h GLN 155 CO 0.57 0.00 0.13 -1.13 -0.95 0.00 0.00 178.83 177.44 2jtc n SER 156 N -3.02 0.43 -4.67 1.46 3.41 -1.26 -4.58 113.62 105.39 2jtc n SER 156 Ca -0.01 0.65 -0.42 0.00 -0.26 0.00 0.00 58.87 58.84 2jtc n SER 156 Cb 0.41 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 2jtc n SER 156 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jtc s VAL 157 N -3.40 2.96 0.09 -3.33 1.01 0.40 -4.65 120.40 113.48 2jtc s VAL 157 Ca -0.02 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 2jtc s VAL 157 Cb 0.05 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.32 2jtc s VAL 157 CO 0.15 -0.01 0.24 -1.38 0.00 0.00 0.00 175.10 174.10 2jtc s HIS 158 N 3.69 0.05 -0.01 5.22 -3.43 -1.18 -4.96 115.29 114.66 2jtc s HIS 158 Ca 0.82 -0.42 -0.01 0.00 -0.80 0.00 0.00 55.06 54.65 2jtc s HIS 158 Cb -0.42 0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 30.71 2jtc s HIS 158 CO 0.37 -0.56 0.12 -1.14 -2.00 0.00 0.00 174.74 171.52 2jtc s GLN 159 N -3.64 3.20 0.18 -0.38 0.74 -1.26 -1.40 119.66 117.10 2jtc s GLN 159 Ca 0.03 -0.42 0.10 0.00 0.05 0.00 0.00 55.36 55.13 2jtc s GLN 159 Cb 0.03 -2.95 -0.04 0.00 1.10 0.00 0.00 33.01 31.15 2jtc s GLN 159 CO -0.10 0.66 -0.22 0.96 -0.55 0.00 0.00 175.29 176.04 2jtc s ILE 160 N -1.23 2.16 -0.34 -2.34 -4.36 0.76 -4.89 121.20 110.96 2jtc s ILE 160 Ca 0.24 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 58.68 2jtc s ILE 160 Cb -0.12 -2.02 0.10 0.00 1.25 0.00 0.00 42.46 41.67 2jtc s ILE 160 CO 0.15 -0.18 0.07 0.20 0.24 0.00 0.00 174.94 175.42 2jtc s ASN 161 N -2.65 4.65 0.36 4.36 0.01 -1.26 0.64 114.94 121.05 2jtc s ASN 161 Ca 0.19 -2.14 0.16 0.00 -0.71 0.00 0.00 52.86 50.36 2jtc s ASN 161 Cb -0.07 -1.53 1.07 0.00 0.41 0.00 0.00 41.25 41.13 2jtc s ASN 161 CO 0.09 -0.38 1.70 -0.09 -1.51 0.00 0.00 177.10 176.91 2jtc h ARG 162 N 7.62 0.37 0.00 -0.60 9.65 0.33 1.40 114.38 133.14 2jtc h ARG 162 Ca -0.05 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2jtc h ARG 162 Cb 1.01 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.51 2jtc h ARG 162 CO 0.52 0.25 -0.01 0.78 2.80 0.00 0.00 179.97 184.31 2jtc h GLY 163 N 0.38 0.00 -1.59 2.80 0.00 -1.90 -1.87 103.07 100.89 2jtc h GLY 163 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.02 2jtc h GLY 163 CO -0.49 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.27 2jtc n ASP 164 N -3.69 2.70 -4.81 0.19 8.00 0.47 -5.00 116.55 114.41 2jtc n ASP 164 Ca -0.03 -1.81 -0.32 0.00 0.71 0.00 0.00 54.79 53.34 2jtc n ASP 164 Cb 0.09 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.07 2jtc n ASP 164 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jtc s PHE 165 N -1.46 1.70 -0.12 1.24 0.40 -0.70 -5.00 117.98 114.03 2jtc s PHE 165 Ca 0.24 -0.97 -0.04 0.00 -0.60 0.00 0.00 56.93 55.55 2jtc s PHE 165 Cb 0.16 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 2jtc s PHE 165 CO 0.24 0.04 0.04 -1.54 0.70 0.00 0.00 175.22 174.69 2jtc s SER 166 N -3.99 5.54 0.21 1.36 1.04 -1.26 -4.90 113.70 111.70 2jtc s SER 166 Ca 0.08 0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.67 2jtc s SER 166 Cb -0.00 -1.74 0.46 0.00 0.10 0.00 0.00 66.02 64.83 2jtc s SER 166 CO 0.05 0.32 1.12 1.17 0.98 0.00 0.00 173.24 176.88 2jtc n LYS 167 N 2.57 -0.06 0.37 4.02 4.81 -1.26 0.17 118.16 128.78 2jtc n LYS 167 Ca -0.18 1.09 -0.16 0.00 -0.87 0.00 0.00 58.31 58.19 2jtc n LYS 167 Cb 0.53 -1.69 -0.08 0.00 0.02 0.00 0.00 35.03 33.81 2jtc n LYS 167 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2jtc h GLN 168 N 0.00 -0.94 0.00 1.64 1.08 -1.96 -2.44 115.11 112.49 2jtc h GLN 168 Ca 0.40 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.66 2jtc h GLN 168 Cb 0.75 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 2jtc h GLN 168 CO -0.70 -0.62 0.00 -0.44 -0.95 0.00 0.00 178.83 176.12 2jtc h ASP 169 N -1.23 0.00 -0.06 1.46 5.19 -1.08 -2.35 116.42 118.35 2jtc h ASP 169 Ca -0.10 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.27 2jtc h ASP 169 Cb 0.76 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.27 2jtc h ASP 169 CO 0.16 0.00 -0.11 -0.25 -3.12 0.00 0.00 179.24 175.93 2jtc h TRP 170 N 0.00 0.23 -0.45 4.55 -0.00 0.20 -3.10 115.95 117.38 2jtc h TRP 170 Ca 0.00 -0.08 -0.11 0.00 -0.00 0.00 0.00 58.89 58.71 2jtc h TRP 170 Cb 0.14 -0.04 -0.02 0.00 -0.00 0.00 0.00 29.16 29.24 2jtc h TRP 170 CO 0.00 0.69 -0.15 0.93 -0.00 0.00 0.00 178.44 179.91 2jtc h GLU 171 N -0.30 0.84 -0.78 2.65 5.08 -0.98 -2.84 114.58 118.27 2jtc h GLU 171 Ca 0.00 -0.31 0.16 0.00 -1.00 0.00 0.00 59.36 58.22 2jtc h GLU 171 Cb 0.67 -0.06 -0.15 0.00 0.50 0.00 0.00 28.75 29.72 2jtc h GLU 171 CO 0.02 0.94 -0.16 0.00 -1.00 0.00 0.00 179.01 178.81 2jtc h ALA 172 N 1.08 0.57 -0.75 3.43 0.00 -1.43 1.40 119.26 123.56 2jtc h ALA 172 Ca 0.12 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2jtc h ALA 172 Cb 0.66 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2jtc h ALA 172 CO 0.05 -0.42 0.44 1.96 0.00 0.00 0.00 179.25 181.28 2jtc h GLN 173 N 0.01 1.03 0.26 0.00 1.08 -1.43 -1.69 115.11 114.37 2jtc h GLN 173 Ca 0.38 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.47 2jtc h GLN 173 Cb 0.61 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2jtc h GLN 173 CO -0.78 0.74 -0.12 0.82 -0.95 0.00 0.00 178.83 178.53 2jtc h ILE 174 N 1.03 0.00 -0.87 2.54 2.04 0.92 -3.05 117.51 120.12 2jtc h ILE 174 Ca 0.27 -0.36 0.21 0.00 1.00 0.00 0.00 64.86 65.98 2jtc h ILE 174 Cb -0.01 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.94 2jtc h ILE 174 CO -0.05 0.00 0.35 0.44 0.00 0.00 0.00 178.15 178.89 2jtc h ASP 175 N -0.71 0.26 -0.80 1.72 3.32 0.14 1.08 116.42 121.43 2jtc h ASP 175 Ca -0.04 0.15 0.14 0.00 0.02 0.00 0.00 57.03 57.31 2jtc h ASP 175 Cb 0.27 0.15 -0.09 0.00 0.22 0.00 0.00 39.33 39.87 2jtc h ASP 175 CO 0.06 -0.01 0.37 0.50 -1.72 0.00 0.00 179.24 178.43 2jtc h LYS 176 N 0.37 0.51 0.34 3.56 3.11 -1.38 2.35 116.57 125.44 2jtc h LYS 176 Ca 0.53 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 58.33 2jtc h LYS 176 Cb 1.00 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.11 2jtc h LYS 176 CO -0.53 0.34 -0.17 0.93 -2.81 0.00 0.00 179.45 177.21 2jtc h GLU 177 N 0.53 -0.46 0.00 1.90 4.39 0.13 -2.12 114.58 118.95 2jtc h GLU 177 Ca 0.44 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 60.12 2jtc h GLU 177 Cb 0.64 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2jtc h GLU 177 CO -0.38 -0.31 -0.21 -0.07 -1.16 0.00 0.00 179.01 176.88 2jtc h LEU 178 N -0.48 0.00 -1.00 1.33 3.38 0.80 0.76 115.31 120.11 2jtc h LEU 178 Ca -0.04 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.09 2jtc h LEU 178 Cb 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.02 2jtc h LEU 178 CO 0.07 0.21 0.61 0.77 0.09 0.00 0.00 178.44 180.19 2jtc h SER 179 N 0.00 0.82 -1.00 -0.43 4.64 0.46 0.99 113.55 119.04 2jtc h SER 179 Ca -0.00 0.08 -0.57 0.00 -0.47 0.00 0.00 61.79 60.83 2jtc h SER 179 Cb 0.58 -0.07 -0.30 0.00 -0.31 0.00 0.00 62.40 62.30 2jtc h SER 179 CO 0.03 0.34 0.74 0.00 -0.87 0.00 0.00 176.83 177.06 2jtc n GLN 180 N -4.73 2.40 -3.93 4.77 6.02 -1.04 -4.86 117.38 116.02 2jtc n GLN 180 Ca 0.22 -3.10 -0.26 0.00 -0.01 0.00 0.00 57.00 53.85 2jtc n GLN 180 Cb 0.50 -2.22 -0.01 0.00 1.02 0.00 0.00 30.24 29.54 2jtc n GLN 180 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2jtc n ASN 181 N -1.06 -0.78 -4.00 1.08 4.13 0.34 -4.94 115.26 110.04 2jtc n ASN 181 Ca 0.61 -0.97 -0.31 0.00 1.68 0.00 0.00 54.58 55.59 2jtc n ASN 181 Cb 1.32 -3.22 -0.16 0.00 -1.54 0.00 0.00 39.78 36.18 2jtc n ASN 181 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2jtc s GLN 182 N -6.49 2.06 1.13 3.52 -0.21 0.26 -4.92 119.66 115.01 2jtc s GLN 182 Ca 0.07 -0.84 -0.15 0.00 0.02 0.00 0.00 55.36 54.46 2jtc s GLN 182 Cb -0.04 -2.42 0.26 0.00 1.00 0.00 0.00 33.01 31.81 2jtc s GLN 182 CO 0.88 -0.42 1.06 -1.25 -2.12 0.00 0.00 175.29 173.44 2jtc s PRO 183 N 1.39 -0.64 -0.16 2.91 0.04 -1.26 -0.93 135.00 136.35 2jtc s PRO 183 Ca -0.01 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.47 2jtc s PRO 183 Cb -0.16 -1.62 0.03 0.00 0.04 0.00 0.00 34.50 32.79 2jtc s PRO 183 CO -0.08 -3.44 -0.11 0.08 0.04 0.00 0.00 177.00 173.49 2jtc s VAL 184 N -2.77 1.44 -0.27 -0.36 1.01 0.37 -4.45 120.40 115.37 2jtc s VAL 184 Ca 0.68 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 2jtc s VAL 184 Cb -0.18 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 2jtc s VAL 184 CO 0.59 0.33 1.77 -0.47 0.00 0.00 0.00 175.10 177.32 2jtc s TYR 185 N 1.52 1.85 0.20 5.22 5.04 -0.58 -1.88 117.35 128.72 2jtc s TYR 185 Ca 0.03 0.55 0.10 0.00 -2.44 0.00 0.00 57.07 55.30 2jtc s TYR 185 Cb -0.14 -4.08 -0.04 0.00 0.35 0.00 0.00 41.96 38.05 2jtc s TYR 185 CO -0.09 -3.12 -0.19 -0.47 -1.34 0.00 0.00 175.55 170.33 2jtc s TYR 186 N 6.30 2.00 -0.29 4.97 6.14 -0.41 0.17 117.35 136.24 2jtc s TYR 186 Ca 0.79 -0.43 -0.16 0.00 0.64 0.00 0.00 57.07 57.91 2jtc s TYR 186 Cb -0.25 -0.96 0.12 0.00 0.42 0.00 0.00 41.96 41.29 2jtc s TYR 186 CO 0.33 0.45 0.83 1.14 0.64 0.00 0.00 175.55 178.93 2jtc s GLN 187 N -3.03 0.53 -0.46 4.97 -2.07 -0.56 0.57 119.66 119.61 2jtc s GLN 187 Ca 0.21 0.97 -0.21 0.00 -1.82 0.00 0.00 55.36 54.50 2jtc s GLN 187 Cb -0.05 0.18 0.03 0.00 -1.09 0.00 0.00 33.01 32.08 2jtc s GLN 187 CO 0.09 -0.12 0.67 0.20 -1.32 0.00 0.00 175.29 174.81 2jtc s GLY 188 N 1.64 1.70 0.76 2.60 0.00 0.23 -2.08 107.32 112.17 2jtc s GLY 188 Ca -0.09 -1.28 -0.11 0.00 0.00 0.00 0.00 44.72 43.24 2jtc s GLY 188 CO -0.18 1.57 1.08 0.14 0.00 0.00 0.00 173.10 175.72 2jtc s VAL 189 N 2.89 3.46 0.00 1.40 1.01 -0.76 -1.79 120.40 126.61 2jtc s VAL 189 Ca 0.22 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2jtc s VAL 189 Cb -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.18 2jtc s VAL 189 CO 0.18 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.27 2jtc n GLY 190 N -1.50 3.21 0.13 4.51 0.00 -0.84 -2.33 105.19 108.37 2jtc n GLY 190 Ca 0.08 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2jtc n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jtc h LYS 191 N 0.00 0.22 0.00 1.61 1.79 -1.89 -3.35 116.57 114.95 2jtc h LYS 191 Ca 0.00 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 2jtc h LYS 191 Cb 0.00 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2jtc h LYS 191 CO 0.00 1.18 0.00 1.33 -1.08 0.00 0.00 179.45 180.88 2jtc n VAL 192 N -3.85 0.78 0.00 0.50 0.24 -1.26 -4.99 118.33 109.75 2jtc n VAL 192 Ca -0.28 0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2jtc n VAL 192 Cb 0.92 -1.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 2jtc n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jtc n GLY 193 N 0.27 0.87 3.55 7.63 0.00 -1.26 -4.71 105.19 111.54 2jtc n GLY 193 Ca 0.03 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 2jtc n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtc s GLY 194 N 0.00 1.44 -0.16 -0.02 0.00 -0.95 -1.98 107.32 105.65 2jtc s GLY 194 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 44.72 43.47 2jtc s GLY 194 CO 0.00 2.05 1.47 -1.58 0.00 0.00 0.00 173.10 175.03 2jtc s HIS 195 N 3.85 2.39 0.26 1.90 2.46 -0.74 -4.39 115.29 121.03 2jtc s HIS 195 Ca 0.35 0.64 0.08 0.00 0.47 0.00 0.00 55.06 56.59 2jtc s HIS 195 Cb -0.11 -3.78 -0.04 0.00 -0.13 0.00 0.00 32.58 28.52 2jtc s HIS 195 CO 0.24 -2.65 0.16 0.00 -2.47 0.00 0.00 174.74 170.02 2jtc s ALA 196 N 4.14 3.52 0.24 1.58 0.00 -1.26 0.76 121.76 130.74 2jtc s ALA 196 Ca 0.64 -1.49 -0.22 0.00 0.00 0.00 0.00 51.96 50.89 2jtc s ALA 196 Cb -0.25 -1.17 0.04 0.00 0.00 0.00 0.00 23.12 21.73 2jtc s ALA 196 CO 0.23 0.23 0.81 -0.59 0.00 0.00 0.00 175.76 176.44 2jtc s PHE 197 N -2.19 -0.16 -0.08 0.00 -0.12 0.19 -3.71 117.98 111.91 2jtc s PHE 197 Ca 0.33 -0.25 0.02 0.00 -0.05 0.00 0.00 56.93 56.99 2jtc s PHE 197 Cb -0.07 0.69 -0.02 0.00 -0.63 0.00 0.00 43.02 42.98 2jtc s PHE 197 CO 0.24 -1.10 -0.14 0.08 -0.05 0.00 0.00 175.22 174.25 2jtc s VAL 198 N -3.66 3.02 -0.42 -2.49 1.01 -1.10 -1.29 120.40 115.47 2jtc s VAL 198 Ca 0.12 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 2jtc s VAL 198 Cb -0.04 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.16 2jtc s VAL 198 CO 0.05 0.57 0.31 -0.63 0.00 0.00 0.00 175.10 175.40 2jtc s ILE 199 N -0.31 5.17 -0.19 2.22 1.01 -0.79 -0.03 121.20 128.29 2jtc s ILE 199 Ca 0.02 -0.79 0.14 0.00 0.00 0.00 0.00 60.65 60.02 2jtc s ILE 199 Cb -0.13 -3.94 0.44 0.00 0.01 0.00 0.00 42.46 38.84 2jtc s ILE 199 CO 0.03 -0.37 1.20 -0.90 0.00 0.00 0.00 174.94 174.89 2jtc n ASP 200 N 5.15 2.17 -3.58 3.58 5.68 -1.01 -0.48 116.55 128.06 2jtc n ASP 200 Ca -0.11 -3.36 -0.05 0.00 -0.50 0.00 0.00 54.79 50.77 2jtc n ASP 200 Cb 0.46 -0.44 -0.02 0.00 -1.14 0.00 0.00 41.12 39.98 2jtc n ASP 200 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2jtc s GLY 201 N -3.10 -0.35 -0.02 6.12 0.00 -1.23 0.25 107.32 108.99 2jtc s GLY 201 Ca 0.39 1.23 -0.04 0.00 0.00 0.00 0.00 44.72 46.31 2jtc s GLY 201 CO -0.07 0.39 0.08 0.00 0.00 0.00 0.00 173.10 173.51 2jtc s ALA 202 N -2.67 -0.20 -0.53 3.20 0.00 0.23 -0.91 121.76 120.89 2jtc s ALA 202 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 51.96 52.13 2jtc s ALA 202 Cb -0.00 -0.03 0.23 0.00 0.00 0.00 0.00 23.12 23.32 2jtc s ALA 202 CO -0.05 -0.11 1.19 -3.47 0.00 0.00 0.00 175.76 173.31 2jtc n ASP 203 N 2.34 2.70 0.00 0.00 -0.08 0.75 0.11 116.55 122.36 2jtc n ASP 203 Ca -0.17 -2.15 0.00 0.00 -1.51 0.00 0.00 54.79 50.96 2jtc n ASP 203 Cb 0.57 -0.20 0.00 0.00 2.34 0.00 0.00 41.12 43.84 2jtc n ASP 203 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jtc n GLY 204 N 0.00 1.35 2.03 0.27 0.00 -1.25 -4.73 105.19 102.87 2jtc n GLY 204 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 2jtc n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtc n ARG 205 N 0.00 2.00 -2.68 1.61 1.74 -1.26 -4.61 116.66 113.45 2jtc n ARG 205 Ca 0.00 -1.02 -0.16 0.00 -0.77 0.00 0.00 57.85 55.90 2jtc n ARG 205 Cb 0.00 -2.02 -0.00 0.00 -1.02 0.00 0.00 32.46 29.42 2jtc n ARG 205 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jtc n ASN 206 N 2.56 -4.32 -4.25 0.55 4.13 -1.26 -4.94 115.26 107.72 2jtc n ASN 206 Ca 0.43 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.39 2jtc n ASN 206 Cb 0.86 -3.62 -0.16 0.00 -1.54 0.00 0.00 39.78 35.32 2jtc n ASN 206 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2jtc s PHE 207 N -2.79 2.30 0.30 3.10 0.08 -1.26 -4.86 117.98 114.86 2jtc s PHE 207 Ca 0.11 -0.65 0.08 0.00 0.12 0.00 0.00 56.93 56.59 2jtc s PHE 207 Cb -0.06 -1.51 -0.06 0.00 -0.57 0.00 0.00 43.02 40.83 2jtc s PHE 207 CO 0.14 -0.19 -0.08 0.71 -0.10 0.00 0.00 175.22 175.71 2jtc s TYR 208 N -0.18 2.13 0.17 0.36 1.51 -1.26 0.27 117.35 120.34 2jtc s TYR 208 Ca -0.02 -0.61 -0.09 0.00 -1.01 0.00 0.00 57.07 55.34 2jtc s TYR 208 Cb -0.13 -1.21 -0.06 0.00 -0.11 0.00 0.00 41.96 40.45 2jtc s TYR 208 CO 0.03 0.41 0.47 -1.58 -1.11 0.00 0.00 175.55 173.77 2jtc s HIS 209 N -2.85 3.49 -0.01 2.71 5.65 -0.09 -2.05 115.29 122.15 2jtc s HIS 209 Ca 0.31 0.79 0.00 0.00 0.25 0.00 0.00 55.06 56.41 2jtc s HIS 209 Cb 0.03 -2.18 0.01 0.00 -1.18 0.00 0.00 32.58 29.25 2jtc s HIS 209 CO 0.14 0.38 0.00 0.08 -0.65 0.00 0.00 174.74 174.69 2jtc s VAL 210 N -1.65 0.03 -1.06 0.89 1.01 0.22 -2.41 120.40 117.42 2jtc s VAL 210 Ca 0.42 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.34 2jtc s VAL 210 Cb -0.12 -0.06 0.27 0.00 0.00 0.00 0.00 36.38 36.46 2jtc s VAL 210 CO 0.21 0.03 1.04 0.21 0.00 0.00 0.00 175.10 176.59 2jtc s ASN 211 N 0.22 7.06 1.05 3.32 3.84 0.95 -0.00 114.94 131.38 2jtc s ASN 211 Ca -0.02 -3.59 -0.23 0.00 0.21 0.00 0.00 52.86 49.23 2jtc s ASN 211 Cb -0.03 -2.15 -0.04 0.00 -0.55 0.00 0.00 41.25 38.48 2jtc s ASN 211 CO -0.01 -0.28 -0.74 0.79 -2.79 0.00 0.00 177.10 174.07 2jtc n TRP 212 N 2.67 -1.38 0.91 0.43 5.03 -1.26 -2.69 117.44 121.14 2jtc n TRP 212 Ca 0.23 0.40 0.03 0.00 3.03 0.00 0.00 57.50 61.19 2jtc n TRP 212 Cb 0.39 -1.46 0.11 0.00 -1.03 0.00 0.00 31.31 29.31 2jtc n TRP 212 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2jtc n GLY 213 N 2.78 0.91 0.78 6.99 0.00 -1.24 -4.81 105.19 110.60 2jtc n GLY 213 Ca -0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.72 2jtc n GLY 213 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2jtc n TRP 214 N 0.15 -1.74 0.00 1.61 7.02 -1.26 -4.83 117.44 118.39 2jtc n TRP 214 Ca 0.08 -0.46 0.00 0.00 -1.02 0.00 0.00 57.50 56.09 2jtc n TRP 214 Cb 0.34 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 2jtc n TRP 214 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jtc n GLY 215 N 3.62 0.74 2.31 6.99 0.00 -1.26 -4.84 105.19 112.74 2jtc n GLY 215 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2jtc n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 216 N 2.56 3.76 0.00 -0.02 0.00 -1.26 -4.92 105.19 105.31 2jtc n GLY 216 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 2jtc n GLY 216 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2jtc n VAL 217 N 1.08 0.00 0.61 1.61 3.14 -1.26 -4.84 118.33 118.67 2jtc n VAL 217 Ca 0.25 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.68 2jtc n VAL 217 Cb 0.48 0.00 0.16 0.00 -1.06 0.00 0.00 33.84 33.43 2jtc n VAL 217 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2jtc n SER 218 N 0.00 2.35 -4.76 6.55 7.64 -1.26 -4.92 113.62 119.21 2jtc n SER 218 Ca 0.00 -2.17 -0.41 0.00 1.01 0.00 0.00 58.87 57.30 2jtc n SER 218 Cb 0.00 -0.37 -0.02 0.00 -1.01 0.00 0.00 64.21 62.82 2jtc n SER 218 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2jtc s ASP 219 N -0.74 6.61 0.00 6.43 1.47 -1.26 -4.51 116.67 124.67 2jtc s ASP 219 Ca 0.23 2.79 0.00 0.00 1.18 0.00 0.00 52.55 56.76 2jtc s ASP 219 Cb 0.15 -2.65 0.00 0.00 -0.34 0.00 0.00 42.92 40.08 2jtc s ASP 219 CO 0.12 -0.69 0.00 0.61 0.68 0.00 0.00 175.17 175.89 2jtc n GLY 220 N 1.14 0.90 3.78 2.12 0.00 0.99 -4.88 105.19 109.24 2jtc n GLY 220 Ca 0.02 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 2jtc n GLY 220 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jtc n PHE 221 N 0.00 3.03 -4.63 1.61 3.01 -1.26 0.69 117.46 119.91 2jtc n PHE 221 Ca 0.00 0.43 -0.29 0.00 1.01 0.00 0.00 57.45 58.61 2jtc n PHE 221 Cb 0.00 -2.54 -0.07 0.00 -0.01 0.00 0.00 39.48 36.86 2jtc n PHE 221 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2jtc n PHE 222 N 0.51 0.76 -4.56 1.38 7.35 -0.87 -4.76 117.46 117.26 2jtc n PHE 222 Ca 0.01 -2.43 -0.26 0.00 -0.76 0.00 0.00 57.45 54.01 2jtc n PHE 222 Cb 0.39 -0.20 -0.10 0.00 0.35 0.00 0.00 39.48 39.92 2jtc n PHE 222 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2jtc s ARG 223 N -3.65 1.87 0.00 -4.13 0.52 -1.26 -4.60 118.95 107.70 2jtc s ARG 223 Ca 0.07 -2.09 0.00 0.00 -0.52 0.00 0.00 55.73 53.19 2jtc s ARG 223 Cb 0.00 -1.16 0.00 0.00 0.52 0.00 0.00 34.95 34.31 2jtc s ARG 223 CO 0.05 -0.22 0.42 1.28 0.02 0.00 0.00 175.30 176.85 2jtc n LEU 224 N -0.90 0.84 0.00 2.53 7.99 -1.26 -4.73 117.00 121.46 2jtc n LEU 224 Ca -0.06 -0.90 0.00 0.00 -0.01 0.00 0.00 56.01 55.04 2jtc n LEU 224 Cb 0.67 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.98 2jtc n LEU 224 CO 0.43 0.21 -0.38 -0.67 -1.51 0.00 0.00 177.39 175.47 2jtc n ASP 225 N -0.12 3.79 -3.86 -1.43 -0.08 -1.26 -4.91 116.55 108.68 2jtc n ASP 225 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 2jtc n ASP 225 Cb 0.01 0.50 -0.13 0.00 2.34 0.00 0.00 41.12 43.83 2jtc n ASP 225 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jtc s ALA 226 N -1.68 3.02 -1.21 -1.67 0.00 -1.26 -5.01 121.76 113.95 2jtc s ALA 226 Ca 0.00 -3.16 -0.12 0.00 0.00 0.00 0.00 51.96 48.68 2jtc s ALA 226 Cb 0.00 -2.07 0.19 0.00 0.00 0.00 0.00 23.12 21.24 2jtc s ALA 226 CO 0.00 -2.04 1.49 -0.11 0.00 0.00 0.00 175.76 175.10 2jtc n LEU 227 N 3.04 5.60 -4.49 0.00 -0.00 -1.26 -4.64 117.00 115.25 2jtc n LEU 227 Ca 0.09 -4.60 -0.29 0.00 -0.00 0.00 0.00 56.01 51.21 2jtc n LEU 227 Cb 0.34 -1.56 -0.11 0.00 -0.00 0.00 0.00 43.42 42.08 2jtc n LEU 227 CO 0.30 0.98 -0.49 0.20 -0.00 0.00 0.00 177.39 178.37 2jtc s ASN 228 N 2.04 3.84 0.83 1.96 0.01 -1.26 -4.90 114.94 117.45 2jtc s ASN 228 Ca 0.40 -0.62 -0.12 0.00 -0.71 0.00 0.00 52.86 51.81 2jtc s ASN 228 Cb -0.01 -0.51 0.09 0.00 0.41 0.00 0.00 41.25 41.23 2jtc s ASN 228 CO -0.00 0.16 1.17 -2.16 -1.51 0.00 0.00 177.10 174.75 2jtc s PRO 229 N -2.31 1.83 -0.12 -0.60 0.04 -1.26 -5.04 135.00 127.54 2jtc s PRO 229 Ca 0.19 0.18 -0.05 0.00 0.04 0.00 0.00 61.00 61.36 2jtc s PRO 229 Cb -0.10 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2jtc s PRO 229 CO 0.11 -1.70 -0.10 0.77 0.04 0.00 0.00 177.00 176.12 2jtc h SER 230 N -1.13 0.00 -3.59 6.66 0.02 -2.00 -3.44 113.55 110.06 2jtc h SER 230 Ca -0.47 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.86 2jtc h SER 230 Cb 1.33 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.73 2jtc h SER 230 CO 0.65 0.62 -0.01 0.00 -1.14 0.00 0.00 176.83 176.95 2jtc s ALA 231 N -2.66 3.57 -0.05 3.77 0.00 -1.26 -4.92 121.76 120.21 2jtc s ALA 231 Ca -0.08 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 2jtc s ALA 231 Cb 0.01 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 2jtc s ALA 231 CO 0.12 -0.83 -0.14 1.28 0.00 0.00 0.00 175.76 176.20 2jtc n LEU 232 N 5.59 1.11 -1.14 0.00 4.32 -1.26 -4.59 117.00 121.03 2jtc n LEU 232 Ca -0.04 0.17 0.15 0.00 -0.02 0.00 0.00 56.01 56.27 2jtc n LEU 232 Cb 0.50 -0.41 -0.05 0.00 -1.62 0.00 0.00 43.42 41.84 2jtc n LEU 232 CO 0.41 -0.20 -0.30 0.61 -1.22 0.00 0.00 177.39 176.69 2jtc n GLY 233 N 2.54 -2.22 0.31 -0.72 0.00 -1.26 -4.01 105.19 99.82 2jtc n GLY 233 Ca -0.13 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2jtc n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jtc n THR 234 N -3.79 0.00 -1.43 2.61 -2.24 -1.26 -4.74 114.28 103.43 2jtc n THR 234 Ca -0.02 0.19 -0.31 0.00 -2.27 0.00 0.00 64.05 61.64 2jtc n THR 234 Cb 0.53 -1.11 0.04 0.00 -2.10 0.00 0.00 70.33 67.68 2jtc n THR 234 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jtc n GLY 235 N 2.65 5.19 0.09 3.38 0.00 -1.26 -4.31 105.19 110.93 2jtc n GLY 235 Ca 0.00 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 2jtc n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 236 N -0.27 -0.20 0.00 -0.02 0.00 -1.26 -5.09 105.19 98.35 2jtc n GLY 236 Ca 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2jtc n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 237 N 2.79 -0.91 0.00 -0.02 0.00 -1.26 -4.84 105.19 100.95 2jtc n GLY 237 Ca -0.25 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2jtc n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtc n ALA 238 N 0.00 0.00 -0.23 4.61 0.00 -1.26 -4.84 120.51 118.78 2jtc n ALA 238 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jtc n ALA 238 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jtc n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtc n GLY 239 N 0.00 -0.19 0.00 0.00 0.00 -1.26 -4.65 105.19 99.09 2jtc n GLY 239 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2jtc n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtc n GLY 240 N 1.24 3.33 0.92 -0.02 0.00 -1.26 -4.78 105.19 104.62 2jtc n GLY 240 Ca 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 2jtc n GLY 240 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2jtc n PHE 241 N 0.00 -0.17 -3.38 1.61 1.16 -1.26 -4.97 117.46 110.44 2jtc n PHE 241 Ca 0.00 -0.61 -0.40 0.00 -1.87 0.00 0.00 57.45 54.56 2jtc n PHE 241 Cb 0.00 -0.09 -0.02 0.00 -1.61 0.00 0.00 39.48 37.75 2jtc n PHE 241 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 2jtc n ASN 242 N -1.34 5.15 0.16 5.98 4.05 -1.25 -3.71 115.26 124.30 2jtc n ASN 242 Ca -0.04 -3.17 -0.09 0.00 0.45 0.00 0.00 54.58 51.73 2jtc n ASN 242 Cb 0.16 -1.20 -0.05 0.00 1.23 0.00 0.00 39.78 39.92 2jtc n ASN 242 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2jtc h GLY 243 N 6.03 -0.51 -7.15 8.20 0.00 -1.80 -3.44 103.07 104.40 2jtc h GLY 243 Ca 0.18 0.19 -0.47 0.00 0.00 0.00 0.00 47.33 47.23 2jtc h GLY 243 CO 1.02 -0.18 -0.76 -0.19 0.00 0.00 0.00 176.54 176.42 2jtc s TYR 244 N -3.35 0.70 -0.26 5.60 2.02 -1.26 -4.93 117.35 115.87 2jtc s TYR 244 Ca -0.09 -0.47 -0.15 0.00 -0.37 0.00 0.00 57.07 55.99 2jtc s TYR 244 Cb 0.01 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 40.67 2jtc s TYR 244 CO 0.28 -0.48 0.38 -0.65 -1.57 0.00 0.00 175.55 173.52 2jtc s GLN 245 N 1.96 4.05 0.12 -0.62 -0.21 -1.26 -1.83 119.66 121.86 2jtc s GLN 245 Ca 0.02 0.08 0.05 0.00 0.02 0.00 0.00 55.36 55.53 2jtc s GLN 245 Cb -0.15 -3.63 -0.04 0.00 1.00 0.00 0.00 33.01 30.19 2jtc s GLN 245 CO -0.07 -0.24 -0.12 -1.54 -2.12 0.00 0.00 175.29 171.20 2jtc s SER 246 N 1.52 1.75 0.09 5.90 1.04 -0.89 0.26 113.70 123.39 2jtc s SER 246 Ca 0.16 -0.83 -0.02 0.00 0.48 0.00 0.00 55.95 55.73 2jtc s SER 246 Cb -0.16 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 2jtc s SER 246 CO 0.09 -0.21 0.04 0.00 0.98 0.00 0.00 173.24 174.14 2jtc s ALA 247 N -2.39 0.54 -0.29 5.32 0.00 0.21 -1.49 121.76 123.65 2jtc s ALA 247 Ca 0.08 -1.23 -0.00 0.00 0.00 0.00 0.00 51.96 50.81 2jtc s ALA 247 Cb -0.03 0.54 0.05 0.00 0.00 0.00 0.00 23.12 23.68 2jtc s ALA 247 CO 0.02 -0.44 -0.03 0.08 0.00 0.00 0.00 175.76 175.38 2jtc s VAL 248 N -3.96 2.76 0.02 0.00 1.01 0.46 0.27 120.40 120.96 2jtc s VAL 248 Ca 0.14 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.71 2jtc s VAL 248 Cb 0.07 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2jtc s VAL 248 CO -0.05 -0.07 0.01 0.68 0.00 0.00 0.00 175.10 175.67 2jtc s VAL 249 N 1.22 4.17 0.00 2.92 -7.23 -0.50 -1.52 120.40 119.46 2jtc s VAL 249 Ca -0.06 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 2jtc s VAL 249 Cb -0.20 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.85 2jtc s VAL 249 CO -0.02 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 2jtc n GLY 250 N 1.17 0.84 3.45 2.32 0.00 -1.26 -3.12 105.19 108.59 2jtc n GLY 250 Ca -0.13 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 2jtc n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtc s ILE 251 N -2.73 4.83 0.04 -0.61 1.01 -1.26 -3.31 121.20 119.17 2jtc s ILE 251 Ca 0.00 -1.92 -0.27 0.00 0.00 0.00 0.00 60.65 58.46 2jtc s ILE 251 Cb 0.00 -4.82 0.08 0.00 0.01 0.00 0.00 42.46 37.73 2jtc s ILE 251 CO 0.00 -1.54 0.73 -1.59 0.00 0.00 0.00 174.94 172.53 2jtc s LYS 252 N 2.33 1.05 0.00 2.79 -2.85 -1.26 -4.91 119.74 116.88 2jtc s LYS 252 Ca 0.36 -0.18 0.27 0.00 -1.00 0.00 0.00 55.97 55.42 2jtc s LYS 252 Cb -0.04 0.49 1.60 0.00 -2.06 0.00 0.00 37.83 37.82 2jtc s LYS 252 CO -0.06 -0.42 1.95 -0.35 0.10 0.00 0.00 175.35 176.57